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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
5-tert-Butyl-2,4-dinitro-m-xylene
252.27
4
0
4
86.28
1
(Z)-3-methoxy-1,3-diphenylprop-2-en-1-one
238.28
3.5
0
2
26.3
4
1-Acetyl-4-isopropenylcyclopentene
150.22
2.3
0
1
17.07
2
3-Methyl-2-undecanone
184.32
4.6
0
1
17.07
8
(-)-Myrtenyl acetate
194.27
2.2
0
2
26.3
3
4-Methoxy-5-methyl-2H-chromen-2-one
190.19
2
0
3
39.44
1
p-Coumaryl alcohol, (Z)-
150.17
1.3
2
2
40.46
2
5-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol
180.20
1.4
2
3
49.69
3
Goniodiol 7-acetate
276.28
1.5
1
5
72.83
5
2-Nonyl-4-quinolone
271.40
5.4
0
2
29.43
8
p-Menth-1-en-7-ol
154.25
2.2
1
1
20.23
2
Cyclohexanol, 2-methylene-5-(1-methylethenyl)-, (1S-cis)-
152.23
2.3
1
1
20.23
1
4,5-Dimethoxy-2-methylphenol
168.19
1.9
1
3
38.69
2
2-hydroxy-1H-phenalen-1-one
196.20
3
1
2
37.3
0
Leontalbinine N-oxide
262.35
0.3
0
2
43.37
0
Aloe Emodin 8-Glucoside
432.40
0
6
10
173.98
4
(2S)-4-{2-[(2S)-2-carboxy-5,6-dioxo-2,3,5,6-tetrahydro-1H-indol-1-yl]ethenyl}-2,3-dihydropyridine-2,6-dicarboxylic acid
386.30
-1
3
10
161.64
5
brassinolide 23-O-glucoside
642.80
3.2
7
11
186.37
8
(E)-11-(2-ethyl-3,5-dihydroxycyclopentyl)-9-hydroxyundec-10-enoic acid
328.40
2.4
4
5
97.99
11
(Z)-5-(heptadec-2-en-1-yl)resorcinol
346.50
9.4
2
2
40.46
15
L-homoserine
119.12
-4.4
3
4
83.55
3
CID 126480146
1270.40
-3.4
9
19
474.73
26
5-(Ethoxymethyl)furan-2-carbaldehyde
154.16
0.3
0
3
39.44
4
gamma-Thujaplicin
164.20
1.9
1
2
37.3
1
Genkdaphine
368.30
2.4
0
7
72.45
2
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